Molecule card · MolClass #39467
7976829
7976829: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7976829Mitochondrial Fusion · compound_name
- MolClass ID
- 39467
- InChIKey
- WTJFDOIWADEVGX-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1cnn(c1(N))c3ncnc2c3(cc(CC)s2)
- Standard InChI
- InChI=1S/C14H15N5O2S/c1-3-8-5-9-12(16-7-17-13(9)22-8)19-11(15)10(6-18-19)14(20)21-4-2/h5-7H,3-4,15H2,1-2H3
- Stored Murcko scaffold
- n1cnc(c2ccsc12)-n3nccc3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 124.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.368 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.947
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 7976829